Issue 17, 1988
From the journal:

Journal of the Chemical Society, Chemical Communications

Fixation of nitrogen and carbon monoxide by beryllium oxide: theoretical investigation of the structures and stabilities of NNBeO, OCBeO, and COBeO

Gernot Frenking,   Wolfram Koch  and  Jack R. Collins  

Abstract

Ab initio calculations at the MP4(SDTQ)/6–311G(2df,2pd)//MP2/6–31G(d,p) level of theory, corrected by zero-point energies, predict that the linear NNBeO structure is stable with respect to dissociation into N2 and BeO by 30.0 kcal mol–1, whereas a cyclic isomer is 19.7 kcal mol–1 higher in energy; the linear molecule OCBeO is calculated to have a dissociation energy Do of 40.8 kcal mol–1, with the linear isomer COBeO being 22.4 kcal mol–1 less stable.

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Article information

DOI
https://doi.org/10.1039/C39880001147
Article type
Paper

J. Chem. Soc., Chem. Commun., 1988, 1147-1148

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Fixation of nitrogen and carbon monoxide by beryllium oxide: theoretical investigation of the structures and stabilities of NNBeO, OCBeO, and COBeO

G. Frenking, W. Koch and J. R. Collins, J. Chem. Soc., Chem. Commun., 1988, 1147 DOI: 10.1039/C39880001147

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